2-azanyl-3-[3-ethenyl-4-(trifluoromethylsulfonylmethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-ethenyl-4-(trifluoromethylsulfonylmethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(trifluoromethylsulfonylmethyl)-3-vinyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3-ethenyl-4-(trifluoromethylsulfonylmethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-ethenyl-4-(trifluoromethylsulfonylmethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(triflylmethyl)-3-vinyl-phenyl]propionic acid Formula: C13H14F3NO4S MolecularWeight: 337.31477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(C=CC(=C1)CC(C(=O)O)N)CS(=O)(=O)C(F)(F)F

Isomeric SMILES

C=CC1=C(C=CC(=C1)CC(C(=O)O)N)CS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H14F3NO4S/c1-2-9-5-8(6-11(17)12(18)19)3-4-10(9)7-22(20,21)13(14,15)16/h2-5,11H,1,6-7,17H2,(H,18,19)